N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine

C18H21NO — CID 39366707

IUPACN-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(CCOc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-4-15(5-3-1)12-13-20-18-10-6-16(7-11-18)14-19-17-8-9-17/h1-7,10-11,17,19H,8-9,12-14H2
InChIKeyYRNYSZBPNNGDPO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds7

About N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine

N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 39366707) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID39366707
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(CCOc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-4-15(5-3-1)12-13-20-18-10-6-16(7-11-18)14-19-17-8-9-17/h1-7,10-11,17,19H,8-9,12-14H2
InChIKeyYRNYSZBPNNGDPO-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
2-[3-[4-[(cyclopropylamino)methyl]phenoxy]propyl]isoindole-1,3-dione
CID 118759856
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine (CID 39366707) is N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine is c1ccc(CCOc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YRNYSZBPNNGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-4-15(5-3-1)12-13-20-18-10-6-16(7-11-18)14-19-17-8-9-17/h1-7,10-11,17,19H,8-9,12-14H2.
What are the key properties of N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 39366707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).